CAS RN: 1948229-21-7
Eliapixant
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: starshine_CAS1948229-21-7
- Purity/Analytical Methods: >99.0%
1948229-21-7 / 3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
Basic Information
CAS
1948229-21-7
Multi CAS
No
Molecular Formula
C22H21F3N4O3S
Molecular Weight
478.500000
Exact Mass
478.128646
SMILES
CC1=CN=C(S1)C2=CC(=CC(=C2)O[C@@H]3CCOC3)C(=O)N[C@H](C)C4=CN=C(N=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1
InChIKey
GTQPEQGDLVSFJO-CXAGYDPISA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
115.05
TPSA
86.23
LogP / Solubility
WLOGP
4.59
MLOGP
4.07
XLogP3
3.4
Consensus LogP
4.02
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(S)-1-(2-(trifluoromethyl)pyrimidin-5-yl)ethan-1-amine
- CAS RN: 1948237-00-0
- Product Code: SSC-091885
-
6-(trifluoromethyl)-3-Pyridazinemethanamine hydrochloride
- CAS RN: 1948237-23-7
- Product Code: SSC-091886
-
Benzenemethanamine, α-methyl-4-(4-methyl-5-thiazolyl)-, (αS)-
- CAS RN: 1948273-00-4
- Product Code: starshine_CAS1948273-00-4
- Purity/Analytical method: >99.0%
-
(S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethanamine hydrochloride
- CAS RN: 1948273-01-5
- Product Code: SSC-091887
-
L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-[(1S)-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (4R)-
- CAS RN: 1948273-02-6
- Product Code: SSC-091888
-
(2S,4R)-1-((S)-2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride
- CAS RN: 1948273-03-7
- Product Code: SSC-091889
![CAS 1948273-02-6 L-Prolinamide, 3-methyl-L-valyl-4-hydroxy-N-[(1S)-1-[4-(4-methyl-5-thiazolyl)phenyl]ethyl]-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1948273-02-6.gif)
